2-[(2-hydroxy-4-methylphenyl)methylidene]-1-benzothiophen-3(2H)-one
Chemical Structure Depiction of
2-[(2-hydroxy-4-methylphenyl)methylidene]-1-benzothiophen-3(2H)-one
2-[(2-hydroxy-4-methylphenyl)methylidene]-1-benzothiophen-3(2H)-one
Compound characteristics
| Compound ID: | 3237-0084 |
| Compound Name: | 2-[(2-hydroxy-4-methylphenyl)methylidene]-1-benzothiophen-3(2H)-one |
| Molecular Weight: | 268.33 |
| Molecular Formula: | C16 H12 O2 S |
| Smiles: | Cc1ccc(/C=C2/C(c3ccccc3S2)=O)c(c1)O |
| Stereo: | ACHIRAL |
| logP: | 4.1896 |
| logD: | 4.0429 |
| logSw: | -3.9149 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.948 |
| InChI Key: | QMTDMOPAZUGTOP-UHFFFAOYSA-N |